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jwh-122 (5-Iodopentyl)

View entire compound with spectra: 1 NMR, and 1 MS (GC)

jwh-122 (5-Iodopentyl)
SpectraBase Compound ID 78ORZckRerm
InChI InChI=1S/C25H24INO/c1-18-13-14-22(20-10-4-3-9-19(18)20)25(28)23-17-27(16-8-2-7-15-26)24-12-6-5-11-21(23)24/h3-6,9-14,17H,2,7-8,15-16H2,1H3
InChIKey WLQRBHHDDTYLTK-UHFFFAOYSA-N
Mol Weight 481.38 g/mol
Molecular Formula C25H24INO
Exact Mass 481.090259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Er3EpUGJ2d2
Name jwh-122 (5-Iodopentyl)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 481.090259396 u
Formula C25H24INO
InChI InChI=1S/C25H24INO/c1-18-13-14-22(20-10-4-3-9-19(18)20)25(28)23-17-27(16-8-2-7-15-26)24-12-6-5-11-21(23)24/h3-6,9-14,17H,2,7-8,15-16H2,1H3
InChIKey WLQRBHHDDTYLTK-UHFFFAOYSA-N
Molecular Weight 481.377 g/mol
SMILES C=1(C=2C(N(C1)CCCCCI)=CC=CC2)C(C1=C2C(=C(C=C1)C)C=CC=C2)=O